2-(6-ethyl-1,3,3a,4,5,9b-hexahydrobenzo[e]isoindol-2-yl)ethanenitrile

Systemtic Name: 2-(6-ethyl-1,3,3a,4,5,9b-hexahydrobenzo[e]isoindol-2-yl)ethanenitrile Openeye Name: 2-(6-ethyl-1,3,3a,4,5,9b-hexahydrobenzo[e]isoindol-2-yl)acetonitrile CAS Name: 2-(6-ethyl-1,3,3a,4,5,9b-hexahydrobenzo[e]isoindol-2-yl)acetonitrile IUPAC Name: 2-(6-ethyl-1,3,3a,4,5,9b-hexahydrobenzo[e]isoindol-2-yl)acetonitrile Traditional Name: 2-(6-ethyl-1,3,3a,4,5,9b-hexahydrobenz[e]isoindol-2-yl)acetonitrile Formula: C16H20N2 MolecularWeight: 240.3434

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=CC2=C1CCC3C2CN(C3)CC#N

Isomeric SMILES

CCC1=CC=CC2=C1CCC3C2CN(C3)CC#N

InChI

InChI=1S/C16H20N2/c1-2-12-4-3-5-15-14(12)7-6-13-10-18(9-8-17)11-16(13)15/h3-5,13,16H,2,6-7,9-11H2,1H3